N-(3-methoxyphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(3-methoxyphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0528 |
| Compound Name: | N-(3-methoxyphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C18 H19 N O4 |
| Smiles: | Cc1cc2c(cc1C(Nc1cccc(c1)OC)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.943 |
| logD: | 2.9428 |
| logSw: | -3.3591 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.028 |
| InChI Key: | LEEANUWTOIRLNW-UHFFFAOYSA-N |